SCHEMBL7503816

SCHEMBL7503816

CCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)O)o2)c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 18/20 0.64
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7506383 0.90 P2RY2 (0.51) P2RY2
SCHEMBL7840113 0.87 P2RY2 (0.82) P2RY2HTT
SCHEMBL7840419 0.86 P2RY2 (0.76) P2RY2HTT
SCHEMBL7506087 0.85 P2RY2 (0.51) P2RY2
SCHEMBL7841848 0.83 P2RY2 (0.73) P2RY2POLB
SCHEMBL7841445 0.83 P2RY2 (0.76) P2RY2
SCHEMBL7507177 0.82 P2RY2 (0.63) P2RY2POLB
SCHEMBL7839452 0.81 P2RY2 (0.72) P2RY2HTTPOLB
SCHEMBL7843516 0.80 P2RY2 (0.71) P2RY2
SCHEMBL7839451 0.79 P2RY2 (0.70) P2RY2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 — — EP claimed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 — — US claimed
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 — — EP disclosed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 — — US disclosed
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